2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide

C19H30N2O3 — CID 109388973

IUPAC2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
SMILESCC(C)CN1CCC(NC(=O)C(C)Oc2cccc(CO)c2)CC1
InChIInChI=1S/C19H30N2O3/c1-14(2)12-21-9-7-17(8-10-21)20-19(23)15(3)24-18-6-4-5-16(11-18)13-22/h4-6,11,14-15,17,22H,7-10,12-13H2,1-3H3,(H,20,23)
InChIKeyANTZBCKGYRVNRY-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.18
Rot. Bonds7

About 2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide

2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide (PubChem CID 109388973) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
PubChem CID109388973
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
SMILESCC(C)CN1CCC(NC(=O)C(C)Oc2cccc(CO)c2)CC1
InChIInChI=1S/C19H30N2O3/c1-14(2)12-21-9-7-17(8-10-21)20-19(23)15(3)24-18-6-4-5-16(11-18)13-22/h4-6,11,14-15,17,22H,7-10,12-13H2,1-3H3,(H,20,23)
InChIKeyANTZBCKGYRVNRY-UHFFFAOYSA-N
XLogP2.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 51122734
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 109388906
2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 61398270
(2S)-2-(2-bromo-4-chlorophenoxy)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 94150133
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol
CID 97336840
N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388825
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide (CID 109388973) is 2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide is CC(C)CN1CCC(NC(=O)C(C)Oc2cccc(CO)c2)CC1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide?
The InChIKey is ANTZBCKGYRVNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)12-21-9-7-17(8-10-21)20-19(23)15(3)24-18-6-4-5-16(11-18)13-22/h4-6,11,14-15,17,22H,7-10,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide?
2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 109388973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).